2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=CC=CC=C3N2)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=CC=CC=C3N2)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H28N4O2S/c1-5-29-23(15-31-19-12-10-17(11-13-19)25(2,3)4)27-28-24(29)32-16-18-14-22(30)20-8-6-7-9-21(20)26-18/h6-14H,5,15-16H2,1-4H3,(H,26,30)